DIATRIZOATE SODIUM


Trade Names	HYPAQUE HYPAQUE SODIUM 20% MD-50 UROVIST SODIUM 300
Synonyms	Diatrizoate sodium Diatrizoic acid sodium salt Hypaque Hypaque Sodium Hypaque sodium 20% Md-50 Meglumine sodium amidotrizoate injection NSC-61815 Natrii amidotrizoas Sodium amidotrizoate Sodium diatrizoate Triombrine Urographing 370 Urovist sodium Urovist sodium 300
Status
Molecule Category	Salt-form
UNII	V5403H8VG7
EPA CompTox	DTXSID7022912
Parent Compound:


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	ZEYOIOAKZLALAP-UHFFFAOYSA-M
Smiles	CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.[Na+]
InChI	InChI=1S/C11H9I3N2O4.Na/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);/q;+1/p-1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C11H8I3N2NaO4
Molecular Weight	635.9
AlogP	3.12
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	95.5
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	20.0

Bioactivity

Mechanism of Action	Action	Reference
Diagnostic agent	None	DailyMed

Cross References

Resources	Reference
ChEBI	53692
ChEMBL	CHEMBL1200581
FDA SRS	V5403H8VG7
PubChem	23672589
SureChEMBL	SCHEMBL37116

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).